Compound Detail
CHEMBL3907295
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Basic Information
| ChEMBL ID | CHEMBL3907295 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OQQDAERWKGMJMN-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
337.4
MW (Da)
2.91
ALogP
4
HBA
2
HBD
57.5
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 7.9 | 7.4 | 12.5 | 2 |
| Polyamine deacetylase HDAC10 CHEMBL5103 | IC50 | 7.7 | 7.65 | 19.9 | 2 |
| Histone deacetylase 8 CHEMBL3192 | IC50 | 6.38 | 6.38 | 422.0 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 5.23 | 5.23 | 5860.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 12.5 | nM | 7.9 | HDAC Activity Assay: HDAC assay is performed using fluorescently-labeled acetyla... | - |
| Polyamine deacetylase HDAC10 | IC50 | = | 19.95 | nM | 7.7 | Inhibition of tubastatin-Alexa647-tracer binding to recombinant GST-tagged HDAC1... | 30964290 |
| Polyamine deacetylase HDAC10 | IC50 | = | 25.12 | nM | 7.6 | Inhibition of dye-labeled tracer binding to HDAC10 (unknown origin) transfected ... | 30964290 |
| Histone deacetylase 6 | IC50 | = | 125.89 | nM | 6.9 | Inhibition of dye-labeled tracer binding to HDAC6 (unknown origin) transfected i... | 30964290 |
| Histone deacetylase 8 | IC50 | = | 422.0 | nM | 6.38 | HDAC Activity Assay: HDAC assay is performed using fluorescently-labeled acetyla... | - |
| Histone deacetylase 1 | IC50 | = | 5860.0 | nM | 5.23 | HDAC Activity Assay: HDAC assay is performed using fluorescently-labeled acetyla... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30964290 | 10.1021/acs.jmedchem.8b01936 | Polyamine deacetylase HDAC10 | 2 |
| 30964290 | 10.1021/acs.jmedchem.8b01936 | Histone deacetylase 6 | 1 |
| 30964290 | 10.1021/acs.jmedchem.8b01936 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine